CID 122549

Einecs 251-021-9

Structural Information

Molecular Formula
C17H26O
SMILES
CC(=O)C1=C2CC3(CCC2(CC3)C(CC1)(C)C)C
InChI
InChI=1S/C17H26O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h5-11H2,1-4H3
InChIKey
QDPCSMUJYFCULY-UHFFFAOYSA-N
Compound name
1-(2,2,8-trimethyl-5-tricyclo[6.2.2.01,6]dodec-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

246.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 161.5
[M+Na]+ 269.187578 166.2
[M-H]- 245.191084 160.5
[M+NH4]+ 264.232183 189.0
[M+K]+ 285.161518 162.1
[M+H-H2O]+ 229.195620 154.5
[M+HCOO]- 291.196561 169.0
[M+CH3COO]- 305.212211 170.9
[M+Na-2H]- 267.173026 169.4
[M]+ 246.19781142 160.9
[M]- 246.19890858 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe